methyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-[(4-phenylphenyl)sulfanylmethyl]butanoate

Systemtic Name: methyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-[(4-phenylphenyl)sulfanylmethyl]butanoate Openeye Name: methyl 4-(1,3-dioxoisoindolin-2-yl)-2-[(4-phenylphenyl)sulfanylmethyl]butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)-2-[[(4-phenylphenyl)thio]methyl]butanoic acid methyl ester IUPAC Name: methyl 4-(1,3-dioxoisoindol-2-yl)-2-[(4-phenylphenyl)sulfanylmethyl]butanoate Traditional Name: 2-[[(4-phenylphenyl)thio]methyl]-4-phthalimido-butyric acid methyl ester Formula: C26H23NO4S MolecularWeight: 445.53012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCN1C(=O)C2=CC=CC=C2C1=O)CSC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CCN1C(=O)C2=CC=CC=C2C1=O)CSC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H23NO4S/c1-31-26(30)20(15-16-27-24(28)22-9-5-6-10-23(22)25(27)29)17-32-21-13-11-19(12-14-21)18-7-3-2-4-8-18/h2-14,20H,15-17H2,1H3